1,3-benzodioxol-5-yl-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-4-yl-4-quinazolinyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(4-pyridyl)quinazolin-4-yl]piperazino]methanone Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H21N5O3/c31-25(18-5-6-21-22(15-18)33-16-32-21)30-13-11-29(12-14-30)24-19-3-1-2-4-20(19)27-23(28-24)17-7-9-26-10-8-17/h1-10,15H,11-14,16H2